Crystallography Open Database

Information card for entry 4108634

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Coordinates	4108634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N6
Calculated formula	C28 H22 N6
Title of publication	Octanuclear Cubic Coordination Cages
Authors of publication	Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	15167 - 15175
a	9.8274 ± 0.0012 Å
b	10.3168 ± 0.0012 Å
c	17.424 ± 0.002 Å
α	82.862 ± 0.009°
β	77.587 ± 0.008°
γ	75.293 ± 0.008°
Cell volume	1664.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2374
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	0.771
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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